Au–Zr phases

12 phases (tier A 6, tier C 2, liquid 1, needs_review 3); 12 stable in a calculated diagram. Structure types are assigned only when the stored evidence supports an assignment under the stated tier rules (tier A: standard phase name; tier B: unique Materials Project + OQMD on-hull match, DFT-supported; tier C: one structure stated by the assessment's crystallographic table, assessor-stated); other phases list candidates and are marked needs_review. Stability is from phase diagrams calculated with pycalphad from the SGTE binary collection (evidence class: model).

Data: interactive registry · full JSON · Au–Zr system page · Markdown · field reference

Phases of the Au–Zr system (12)
Phase	Structure	Basis	Stability (calculated)	TDB models
AU10ZR7 phase:au-zr:au10zr7		needs_review	stable in 1 of 1 calculated diagram(s): 300–1748.95 K, x(Zr) 0.41176–0.41176	1
AU2ZR_C11B phase:au-zr:au2zr-c11b	MoSi2 · C11_b · tI6 · I4/mmm (139)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1850.78 K, x(Zr) 0.33333–0.33333	1
AU2ZR3 phase:au-zr:au2zr3		needs_review	stable in 1 of 1 calculated diagram(s): 1200.76–1368.79 K, x(Zr) 0.6–0.6	1
AU3ZR_D0A phase:au-zr:au3zr-d0a	beta-Cu3Ti · D0_a · oP8 · Pmmn (59)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1832.43 K, x(Zr) 0.25–0.25	1
AU4ZR phase:au-zr:au4zr	Au4Zr · oP20 · Pnma (62)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–1527.14 K, x(Zr) 0.2–0.2	1
AUZR phase:au-zr:auzr		needs_review	stable in 1 of 1 calculated diagram(s): 300–1845.5 K, x(Zr) 0.5–0.5	1
AUZR2 phase:au-zr:auzr2	CuZr2 · tI6 · I4/mmm (139)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–1416.25 K, x(Zr) 0.66667–0.66667	1
AUZR3_A15 phase:au-zr:auzr3-a15	Cr3Si · A15 · cP8 · Pm-3n (223)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1414.52 K, x(Zr) 0.75–0.75	1
BCC_A2 phase:au-zr:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 1049–2642.15 K, x(Zr) 0.87028–1	1
FCC_A1 phase:au-zr:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1352.26 K, x(Zr) 0–0.05625	1
HCP_A3 phase:au-zr:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1864 K, x(Zr) 0.94471–1	1
LIQUID phase:au-zr:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 1337.33–4000 K, x(Zr) 0–1	1

AU10ZR7 (Au–Zr)

Id: phase:au-zr:au10zr7; status needs_review
No structure assigned. Why: no_on_hull_entry_in_mp; no_structure_token; sgte_mmc2_row_incomplete
Candidate (dft_oqmd): Cmca (64) — on-hull OQMD Au10 Zr7 at x(ZR)=0.4118
Candidate (sgte_mmc2): (Au10Zr7) · tI34 — Hallstedt 2025 mmc2 row for AU10ZR7: Au10Zr7
Stoichiometry: Au 0.5882, Zr 0.4118
Stability: stable in 1 of 1 calculated diagram(s): 300–1748.95 K, x(Zr) 0.41176–0.41176
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:au-zr:au10zr7
tdb: tdb:AuZr-00Su-LB.tdb:AU10ZR7

TDB models of AU10ZR7 (1): PHASE and CONSTITUENT statements as written

AuZr-00Su-LB.tdb: AU10ZR7, type code %, sha256 72c1438a751e5dd4…

55: PHASE AU10ZR7 % 2 10 7 !
56: CONST AU10ZR7 : AU : ZR : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2000-910906 X. Su, F. Yin, Z. Li, Y. Shi, Z. Metallkd., 91, 744-47(2000).
assessment that models this phase

AU2ZR_C11B (Au–Zr)

Id: phase:au-zr:au2zr-c11b; status assigned
Structure: MoSi2 · C11_b · tI6 · I4/mmm (139); type st:c11-b-mosi2-ti6; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaacfybv and oqmd-28235, space group 139
Stoichiometry: Au 0.6667, Zr 0.3333
Stability: stable in 1 of 1 calculated diagram(s): 300–1850.78 K, x(Zr) 0.33333–0.33333
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:au-zr:au2zr-c11b
mp: mp:mp-aaacfybv
oqmd: oqmd:oqmd-28235
tdb: tdb:AuZr-00Su-LB.tdb:AU2ZR_C11B

TDB models of AU2ZR_C11B (1): PHASE and CONSTITUENT statements as written

AuZr-00Su-LB.tdb: AU2ZR_C11B, type code %, sha256 72c1438a751e5dd4…

50: PHASE AU2ZR_C11B % 2 2 1 !
51: CONST AU2ZR_C11B : AU : ZR : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2000-910906 X. Su, F. Yin, Z. Li, Y. Shi, Z. Metallkd., 91, 744-47(2000).
assessment that models this phase

AU2ZR3 (Au–Zr)

Id: phase:au-zr:au2zr3; status needs_review
No structure assigned. Why: no_on_hull_entry_in_both; no_structure_token; sgte_mmc2_row_incomplete
Candidate (sgte_mmc2): (Au2Zr3) — Hallstedt 2025 mmc2 row for AU2ZR3: Au2Zr3
Stoichiometry: Au 0.4000, Zr 0.6000
Stability: stable in 1 of 1 calculated diagram(s): 1200.76–1368.79 K, x(Zr) 0.6–0.6
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:au-zr:au2zr3
tdb: tdb:AuZr-00Su-LB.tdb:AU2ZR3

TDB models of AU2ZR3 (1): PHASE and CONSTITUENT statements as written

AuZr-00Su-LB.tdb: AU2ZR3, type code %, sha256 72c1438a751e5dd4…

66: PHASE AU2ZR3 % 2 2 3 !
67: CONST AU2ZR3 : AU : ZR : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2000-910906 X. Su, F. Yin, Z. Li, Y. Shi, Z. Metallkd., 91, 744-47(2000).
assessment that models this phase

AU3ZR_D0A (Au–Zr)

Id: phase:au-zr:au3zr-d0a; status assigned
Structure: beta-Cu3Ti · D0_a · oP8 · Pmmn (59); type st:d0-a-beta-cu3ti-op8; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaacjlef and oqmd-28234, space group 59
Stoichiometry: Au 0.7500, Zr 0.2500
Stability: stable in 1 of 1 calculated diagram(s): 300–1832.43 K, x(Zr) 0.25–0.25
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:au-zr:au3zr-d0a
mp: mp:mp-aaacjlef
oqmd: oqmd:oqmd-28234
tdb: tdb:AuZr-00Su-LB.tdb:AU3ZR_D0A

TDB models of AU3ZR_D0A (1): PHASE and CONSTITUENT statements as written

AuZr-00Su-LB.tdb: AU3ZR_D0A, type code %, sha256 72c1438a751e5dd4…

45: PHASE AU3ZR_D0A % 2 3 1 !
46: CONST AU3ZR_D0A : AU : ZR : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2000-910906 X. Su, F. Yin, Z. Li, Y. Shi, Z. Metallkd., 91, 744-47(2000).
assessment that models this phase

AU4ZR (Au–Zr)

Id: phase:au-zr:au4zr; status assigned
Structure: Au4Zr · oP20 · Pnma (62); type st:au4zr-op20; tier C: assessor-stated (Hallstedt 2025 crystallographic table); confidence assessor-stated
Structure source: B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2) doi:10.1016/j.calphad.2025.102833
Caveat: not certain from the name or DFT alone (dft_space_group_62_matches_2_structure_types, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Au 0.8000, Zr 0.2000
Stability: stable in 1 of 1 calculated diagram(s): 300–1527.14 K, x(Zr) 0.2–0.2
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:au-zr:au4zr
tdb: tdb:AuZr-00Su-LB.tdb:AU4ZR

TDB models of AU4ZR (1): PHASE and CONSTITUENT statements as written

AuZr-00Su-LB.tdb: AU4ZR, type code %, sha256 72c1438a751e5dd4…

40: PHASE AU4ZR % 2 4 1 !
41: CONST AU4ZR : AU : ZR : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2000-910906 X. Su, F. Yin, Z. Li, Y. Shi, Z. Metallkd., 91, 744-47(2000).
assessment that models this phase

AUZR (Au–Zr)

Id: phase:au-zr:auzr; status needs_review
No structure assigned. Why: no_on_hull_entry_in_mp; no_structure_token
Candidate (dft_oqmd): P4/nmm (129) — on-hull OQMD Au1 Zr1 at x(ZR)=0.5000
Candidate (tdb_comment): AuZr · mP32 · P2/m — AuZr-00Su-LB.tdb: 'Prototype AuZr (mP32, P2/m) alpha-AuZr'
Candidate (tdb_comment): CuTi3 · tP4 · P4/mmm, L6_0 — AuZr-00Su-LB.tdb: 'Prototype CuTi3 (tP4, P4/mmm, L6_0) beta-AuZr'
Stoichiometry: Au 0.5000, Zr 0.5000
Stability: stable in 1 of 1 calculated diagram(s): 300–1845.5 K, x(Zr) 0.5–0.5
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:au-zr:auzr
tdb: tdb:AuZr-00Su-LB.tdb:AUZR

TDB models of AUZR (1): PHASE and CONSTITUENT statements as written

AuZr-00Su-LB.tdb: AUZR, type code %, sha256 72c1438a751e5dd4…

61: PHASE AUZR % 2 1 1 !
62: CONST AUZR : AU : ZR : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2000-910906 X. Su, F. Yin, Z. Li, Y. Shi, Z. Metallkd., 91, 744-47(2000).
assessment that models this phase

AUZR2 (Au–Zr)

Id: phase:au-zr:auzr2; status assigned
Structure: CuZr2 · tI6 · I4/mmm (139); type st:cuzr2-ti6; tier C: assessor-stated (Hallstedt 2025 crystallographic table); confidence assessor-stated
Structure source: B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2) doi:10.1016/j.calphad.2025.102833
Caveat: not certain from the name or DFT alone (dft_space_group_139_matches_5_structure_types, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Au 0.3333, Zr 0.6667
Stability: stable in 1 of 1 calculated diagram(s): 300–1416.25 K, x(Zr) 0.66667–0.66667
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:au-zr:auzr2
tdb: tdb:AuZr-00Su-LB.tdb:AUZR2

TDB models of AUZR2 (1): PHASE and CONSTITUENT statements as written

AuZr-00Su-LB.tdb: AUZR2, type code %, sha256 72c1438a751e5dd4…

71: PHASE AUZR2 % 2 1 2 !
72: CONST AUZR2 : AU : ZR : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2000-910906 X. Su, F. Yin, Z. Li, Y. Shi, Z. Metallkd., 91, 744-47(2000).
assessment that models this phase

AUZR3_A15 (Au–Zr)

Id: phase:au-zr:auzr3-a15; status assigned
Structure: Cr3Si · A15 · cP8 · Pm-3n (223); type st:a15-cr3si-cp8; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaaaaqrf and oqmd-10833, space group 223
Stoichiometry: Au 0.2500, Zr 0.7500
Stability: stable in 1 of 1 calculated diagram(s): 300–1414.52 K, x(Zr) 0.75–0.75
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:au-zr:auzr3-a15
mp: mp:mp-aaaaaqrf
oqmd: oqmd:oqmd-10833
tdb: tdb:AuZr-00Su-LB.tdb:AUZR3_A15

TDB models of AUZR3_A15 (1): PHASE and CONSTITUENT statements as written

AuZr-00Su-LB.tdb: AUZR3_A15, type code %, sha256 72c1438a751e5dd4…

76: PHASE AUZR3_A15 % 2 1 3 !
77: CONST AUZR3_A15 : AU : ZR : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2000-910906 X. Su, F. Yin, Z. Li, Y. Shi, Z. Metallkd., 91, 744-47(2000).
assessment that models this phase

BCC_A2 (Au–Zr)

Id: phase:au-zr:bcc-a2; status assigned
Structure: W · A2 · cI2 · Im-3m (229); type st:a2-w-ci2; tier A: standard phase name; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 1049–2642.15 K, x(Zr) 0.87028–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:au-zr:bcc-a2
tdb: tdb:AuZr-00Su-LB.tdb:BCC_A2

TDB models of BCC_A2 (1): PHASE and CONSTITUENT statements as written

AuZr-00Su-LB.tdb: BCC_A2, type code %B, sha256 72c1438a751e5dd4…

30: PHASE BCC_A2 %B 2 1 3 !
31: CONST BCC_A2 : AU ZR% : VA : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2000-910906 X. Su, F. Yin, Z. Li, Y. Shi, Z. Metallkd., 91, 744-47(2000).
assessment that models this phase

FCC_A1 (Au–Zr)

Id: phase:au-zr:fcc-a1; status assigned
Structure: Cu · A1 · cF4 · Fm-3m (225); type st:a1-cu-cf4; tier A: standard phase name; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 300–1352.26 K, x(Zr) 0–0.05625
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:au-zr:fcc-a1
tdb: tdb:AuZr-00Su-LB.tdb:FCC_A1

TDB models of FCC_A1 (1): PHASE and CONSTITUENT statements as written

AuZr-00Su-LB.tdb: FCC_A1, type code %A, sha256 72c1438a751e5dd4…

25: PHASE FCC_A1 %A 2 1 1 !
26: CONST FCC_A1 : AU% ZR : VA : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2000-910906 X. Su, F. Yin, Z. Li, Y. Shi, Z. Metallkd., 91, 744-47(2000).
assessment that models this phase

HCP_A3 (Au–Zr)

Id: phase:au-zr:hcp-a3; status assigned
Structure: Mg · A3 · hP2 · P6_3/mmc (194); type st:a3-mg-hp2; tier A: standard phase name; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 300–1864 K, x(Zr) 0.94471–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:au-zr:hcp-a3
tdb: tdb:AuZr-00Su-LB.tdb:HCP_A3

TDB models of HCP_A3 (1): PHASE and CONSTITUENT statements as written

AuZr-00Su-LB.tdb: HCP_A3, type code %A, sha256 72c1438a751e5dd4…

35: PHASE HCP_A3 %A 2 1 0.5 !
36: CONST HCP_A3 : AU ZR% : VA : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2000-910906 X. Su, F. Yin, Z. Li, Y. Shi, Z. Metallkd., 91, 744-47(2000).
assessment that models this phase

LIQUID (Au–Zr)

Id: phase:au-zr:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 1337.33–4000 K, x(Zr) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:au-zr:liquid
tdb: tdb:AuZr-00Su-LB.tdb:LIQUID

TDB models of LIQUID (1): PHASE and CONSTITUENT statements as written

AuZr-00Su-LB.tdb: LIQUID, type code %, sha256 72c1438a751e5dd4…

20: PHASE LIQUID:L % 1 1 !
21: CONST LIQUID:L : AU ZR : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2000-910906 X. Su, F. Yin, Z. Li, Y. Shi, Z. Metallkd., 91, 744-47(2000).
assessment that models this phase

Please cite

R. Arróyave, J. Saal, D. Shin, ORCHID-Registry: phase registry of binary systems (version 2026.10; Version 1, machine-extracted), Zenodo (2026). doi:10.5281/zenodo.23735970
R. Arróyave, J. Saal, D. Shin, ORCHID data: umbrella record of the ORCHID datasets (version 2026.10; Version 1, machine-extracted), Zenodo (2026). doi:10.5281/zenodo.23736065

Also cite B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, https://doi.org/10.1016/j.calphad.2025.102833 (CC BY 4.0), and the original assessment named in each file; A. Jain et al., The Materials Project: A materials genome approach to accelerating materials innovation, APL Materials 1 (2013) 011002, https://doi.org/10.1063/1.4812323 (CC BY 4.0); J. E. Saal et al., JOM 65 (2013) 1501, https://doi.org/10.1007/s11837-013-0755-4 and S. Kirklin et al., npj Comput. Mater. 1 (2015) 15010, https://doi.org/10.1038/npjcompumats.2015.10 (CC BY 4.0); the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work). Version 1, machine-extracted: values were read by language-model readers constrained to quote their source and checked automatically, and the release was then audited on the printed pages by adversarial audits, an independent second review of fit-facing records and a preliminary human review of a frozen sample. Flags such as accepted and ESPEI-ready record screening results, not certification; known issues are listed in the release notes.

@misc{orchid_phase_registry_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Registry: phase registry of binary systems}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735970},
  url       = {https://doi.org/10.5281/zenodo.23735970},
  note      = {Version 1, machine-extracted}
}

@misc{orchid_data_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID data: umbrella record of the ORCHID datasets}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23736065},
  url       = {https://doi.org/10.5281/zenodo.23736065},
  note      = {Version 1, machine-extracted}
}